SCHEMBL8501778

SCHEMBL8501778

CC(C)(C)C1(C(=O)CCC(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 3/20 0.33
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 2/20 0.32
HPGD P15428 1/20 0.32
KEAP1 Q14145 1/20 0.32
RBP4 P02753 1/20 0.32
FFAR1 O14842 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
RAB9A P51151 1/20 0.31
DHFR P00374 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8525874 0.85 NR4A2 (0.32) NR4A2CYP2C19HIF1ARBP4RIPK1
SCHEMBL8501573 0.81 NR4A2 (0.37) NR4A2L3MBTL1CYP2C19HIF1AALDH1A1
SCHEMBL11761413 0.78 NR4A2 (0.37) NR4A2L3MBTL1CYP2C19HIF1AALDH1A1
SCHEMBL8502411 0.78 NR4A2 (0.37) NR4A2L3MBTL1CYP2C19HIF1AALDH1A1
SCHEMBL8501906 0.77 NR4A2 (0.34) NR4A2CYP2C19HIF1AALDH1A1GAA
SCHEMBL8499523 0.74 NR4A2 (0.34) NR4A2CYP2C19HIF1AALDH1A1GAA
SCHEMBL8526227 0.74 NR4A2 (0.32) NR4A2
SCHEMBL5014696 0.73 POLB (0.33) KMT2AL3MBTL1CYP2C19SMN1; SMN2RIPK1
SCHEMBL4229702 0.70 CETP (0.38) MEN1HTTKMT2AL3MBTL1ALDH1A1
SCHEMBL3539241 0.70 APEX1 (0.37) NR4A2CYP2C19ALDH1A1KEAP1FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed